pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
15.93	IUPAC digitized pKa	0	-1	CCO	CC[O-]	mol8728	CCO
15.9	IUPAC digitized pKa	0	-1	CCO	CC[O-]	mol8728	CCO
16.0	IUPAC digitized pKa	0	-1	CCO	CC[O-]	mol8728	CCO
15.54	Datawarrior	0	-1	CCO	CC[O-]	mol8728	CCO
15.915	OCHEM	0	-1	CCO	CC[O-]	mol8728	CCO
15.8999996185303	QSARToolbox	0	-1	CCO	CC[O-]	mol8728	CCO
15.5	QSARToolbox	0	-1	CCO	CC[O-]	mol8728	CCO
16.2900009155273	QSARToolbox	0	-1	CCO	CC[O-]	mol8728	CCO
15.6599998474121	QSARToolbox	0	-1	CCO	CC[O-]	mol8728	CCO
16.8500003814697	QSARToolbox	0	-1	CCO	CC[O-]	mol8728	CCO
14.9700002670288	QSARToolbox	0	-1	CCO	CC[O-]	mol8728	CCO
15.2600002288818	QSARToolbox	0	-1	CCO	CC[O-]	mol8728	CCO
15.4399995803833	QSARToolbox	0	-1	CCO	CC[O-]	mol8728	CCO
15.9300003051758	QSARToolbox	0	-1	CCO	CC[O-]	mol8728	CCO
15.95	AttenGpKa training set	0	-1	CCO	CC[O-]	mol8728	CCO